Diethyl 5,6-bis(acetyloxymethyl)-7-oxa-2,3-diazabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
Basic information
- CAS
71539-03-2- Standard SMILES
CCOC(=O)N1C2OC(C(COC(C)=O)=C2COC(C)=O)N1C(=O)OCC- InChIKey
PUAQFRJKONMVPB-UHFFFAOYSA-N- Molecular formula
- C16H22N2O9
- Average molar mass
- 386.35 g/mol
- Monoisotopic mass
- 386.13253028
Names & identifiers
- Preferred name
- Diethyl 5,6-bis(acetyloxymethyl)-7-oxa-2,3-diazabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
- IUPAC
- diethyl 5,6-bis(acetyloxymethyl)-7-oxa-2,3-diazabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
Names & synonyms
71539-03-2NSC186039diethyl 5,6-bis(acetyloxymethyl)-7-oxa-2,3-diazabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylateDTXSID20307023NSC-186039Diethyl 5,6-bis[(acetyloxy)methyl]-7-oxa-2,3-diazabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
Database identifiers
- CAS
71539-03-2- PubChem CID
- 302276
- DTXSID
DTXSID20307023
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 10
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 606
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Related reactions
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Compound notes
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